Geometry & MOs

Info

ID:	135002
PubChem CID:	51795880
Reduced:	ClN2O2C27H43 (1)
Stoich.:	AB2C2D27E43 (1)
Weight, g/mol:	504.231034
ΔH_f, kcal/mol:	-141.5
Dipole, Da:	1.1
IP(EA), eV:	-9.31(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]hexanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(C1=CC(=CC=C1)Cl)[C@@H](/C=C/CCC)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations